2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol

C14H14O2S2 — CID 134144531

IUPAC2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol
SMILESCC#Cc1ccc(-c2ccc(C(CO)OC)s2)s1
InChIInChI=1S/C14H14O2S2/c1-3-4-10-5-6-13(17-10)14-8-7-12(18-14)11(9-15)16-2/h5-8,11,15H,9H2,1-2H3
InChIKeyWJHKDRUADSEGIX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.53
Rot. Bonds4

About 2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol

2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol (PubChem CID 134144531) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol.

Molecular Properties

Compound Name2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol
PubChem CID134144531
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Name2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol
SMILESCC#Cc1ccc(-c2ccc(C(CO)OC)s2)s1
InChIInChI=1S/C14H14O2S2/c1-3-4-10-5-6-13(17-10)14-8-7-12(18-14)11(9-15)16-2/h5-8,11,15H,9H2,1-2H3
InChIKeyWJHKDRUADSEGIX-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol?
The IUPAC name of 2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol (CID 134144531) is 2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol.
What is the SMILES notation for 2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol?
The canonical SMILES for 2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol is CC#Cc1ccc(-c2ccc(C(CO)OC)s2)s1.
What is the InChIKey of 2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol?
The InChIKey is WJHKDRUADSEGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c1-3-4-10-5-6-13(17-10)14-8-7-12(18-14)11(9-15)16-2/h5-8,11,15H,9H2,1-2H3.
What are the key properties of 2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol?
2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol is sourced from PubChem (CID 134144531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).